# generated using pymatgen
data_Ba3Ti2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.11027027
_cell_length_b   11.10746179
_cell_length_c   4.07030335
_cell_angle_alpha   79.48262151
_cell_angle_beta   79.40489247
_cell_angle_gamma   21.11248602
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Ti2O7
_chemical_formula_sum   'Ba3 Ti2 O7'
_cell_volume   177.75914096
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.56239100  0.07209300  0.92790700  1.0
  Ba  Ba1  1  0.74348200  0.25651800  0.74348200  1.0
  Ba  Ba2  1  0.92790700  0.43760900  0.56239100  1.0
  Ti  Ti3  1  0.13473800  0.67560000  0.32440000  1.0
  Ti  Ti4  1  0.32440000  0.86526200  0.13473800  1.0
  O  O5  1  0.06868800  0.55985200  0.44014800  1.0
  O  O6  1  0.15823200  0.65356700  0.85751700  1.0
  O  O7  1  0.85751700  0.33068400  0.15823200  1.0
  O  O8  1  0.34643300  0.84176800  0.66931600  1.0
  O  O9  1  0.66931600  0.14248300  0.34643300  1.0
  O  O10  1  0.25535100  0.74464900  0.25535100  1.0
  O  O11  1  0.44014800  0.93131200  0.06868800  1.0